title: (Hexafluorosilicato-κ(2)F,F')bis(1,10-phenanthroline-κ(2)N,N')zinc(II) methanol monosolvate.
abstract: The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris-chelate Zn(II) complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecular C2 point-group symmetry. The Zn(II) cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a Zn(II) complex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).
authors.affiliation: Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse 150, 44780 Bochum, Germany.
authors.forename: Rüdiger W
authors.initials: RW
authors.lastname: Seidel
authors.forename: Christina
authors.initials: C
authors.lastname: Dietz
authors.forename: Jürgen
authors.initials: J
authors.lastname: Breidung
authors.forename: Richard
authors.initials: R
authors.lastname: Goddard
authors.forename: Iris M
authors.initials: IM
authors.lastname: Oppel
keywords: coordination compound; crystal structure; density functional theory (DFT) calculations; hexafluorosilicate ligand; zinc complex